mp-31285/Cs2PdSe8/harm

Harmonic properties

../../_images/fig_bandos_pr10738.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14668.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10738.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210470.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times18425.png

(a) Computation time